N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide

C24H33N2P — CID 155215925

IUPACN-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide
SMILESCC(C)(C)N/C(=N\CC1CCCCC1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N2P/c1-24(2,3)26-23(25-19-20-13-7-4-8-14-20)27(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,9-12,15-18,20H,4,7-8,13-14,19H2,1-3H3,(H,25,26)
InChIKeyPBAKUTASKRRPPJ-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.44
Rot. Bonds5

About N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide

N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide (PubChem CID 155215925) has the molecular formula C24H33N2P and a molecular weight of 380.52 g/mol. Its IUPAC name is N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide
PubChem CID155215925
Molecular FormulaC24H33N2P
Molecular Weight380.52 g/mol
Exact Mass380.24
IUPAC NameN-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide
SMILESCC(C)(C)N/C(=N\CC1CCCCC1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N2P/c1-24(2,3)26-23(25-19-20-13-7-4-8-14-20)27(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,9-12,15-18,20H,4,7-8,13-14,19H2,1-3H3,(H,25,26)
InChIKeyPBAKUTASKRRPPJ-UHFFFAOYSA-N
XLogP5.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide?
The IUPAC name of N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide (CID 155215925) is N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide?
The canonical SMILES for N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide is CC(C)(C)N/C(=N\CC1CCCCC1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide?
The InChIKey is PBAKUTASKRRPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N2P/c1-24(2,3)26-23(25-19-20-13-7-4-8-14-20)27(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,9-12,15-18,20H,4,7-8,13-14,19H2,1-3H3,(H,25,26).
What are the key properties of N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide?
N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide has a molecular weight of 380.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide is sourced from PubChem (CID 155215925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).